1A4X
PYRR, THE BACILLUS SUBTILIS PYRIMIDINE BIOSYNTHETIC OPERON REPRESSOR, HEXAMERIC FORM
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-09 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 100.580, 100.580, 275.150 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 2.300 |
| R-factor | 0.211 |
| Rwork | 0.211 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a3c |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.450 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.050 * | |
| Total number of observations | 92317 * | |
| Number of reflections | 23877 | |
| <I/σ(I)> | 34 | 8 |
| Completeness [%] | 98.6 | 97.5 |
| Redundancy | 3.9 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 * | 20 * | PROTEIN WAS CRYSTALLIZED FROM 14-16% PEG 6000, 300 MM AMMONIUM SULFATE, 0.2% BETA-OCTYLGLUCOSIDE, 50 MM SODIUM SUCCINATE, PH 5.1. HEXAGONAL SETTING FOR R 3 2. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | Tris acetate | 10 (mM) | pH7.5 |
| 3 | 1 | drop | beta-octylglucoside | 0.2 (%) | |
| 4 | 1 | reservoir | PEG6000 | 13-16 (%) | |
| 5 | 1 | reservoir | ammonium sulfate | 300 (mM) | |
| 6 | 1 | reservoir | sodium succinate | 50 (mM) | pH5.1 |
